SCHEMBL9918375

SCHEMBL9918375

COc1ccccc1C(CC(C)C)N1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.50
MC4R P32245 1/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APAF1 O14727 1/20 0.43
NPC1 O15118 1/20 0.43
PTBP1 P26599 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9920168 0.85 P4HB (0.47) TACR1MC4RMAPTKDM4ENPSR1
SCHEMBL9365969 0.84 CYP2D6 (0.60) TACR1MC4RMAPTSMN1; SMN2KDM4E
SCHEMBL20690487 0.83 TACR1 (0.51) TACR1MC4RMAPTSMN1; SMN2KDM4E
SCHEMBL29700504 0.83 TACR1 (0.51) TACR1MC4RMAPTSMN1; SMN2KDM4E
SCHEMBL17029838 0.83 MC4R (0.56) TACR1MC4RMAPTSMN1; SMN2KDM4E
SCHEMBL13553399 0.79 KDM4E (0.51) MC4RMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL11886645 0.77 KDM4E (0.49) MC4RMAPTSMN1; SMN2KDM4EHPGD
SCHEMBL11885437 0.76 MAPT (0.49) MAPTSMN1; SMN2KDM4EHPGDALOX15
SCHEMBL7932712 0.76 CCR3 (0.62) TACR1HTTNPSR1L3MBTL1CCR3
SCHEMBL13653654 0.76 MAPT (0.51) TACR1MC4RMAPTSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 TACR1 3063/4885MC4R 2130/4885MAPT 4022/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 TACR1 3236/4885MC4R 1692/4885MAPT 4399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.